Chemical ID: 4665951

COc1ccc(cc1)C(=O)Oc2cccc3c2C=CC3=O
Chemical ID:
4665951
Name [?]:
(1-oxoinden-4-yl) 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2cccc3c2C=CC3=O
InChi [?]:
InChI=1/C17H12O4/c1-20-12-7-5-11(6-8-12)17(19)21-16-4-2-3-13-14(16)9-10-15(13)18/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,5,7,4,8,18,19,6,3,16,17,20,12,9,21,10,2,11/E:(5,6)(7,8)/rA:21nCOCCCCCCCOOCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s16s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.37598
Area:473.489
Solvation:-3.46124
Coulombic:-36.8796
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.275
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.24
LogP (Chemaxon):2.94

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Descriptor Annotations

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